1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione

C15H23NO3 — CID 58069219

IUPAC1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)C(=O)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H23NO3/c1-10(2)15(19)12-5-3-11(4-6-12)9-16-13(17)7-8-14(16)18/h10-12H,3-9H2,1-2H3
InChIKeyNPFLYIKZXXUGOF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds4

About 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione

1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione (PubChem CID 58069219) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
PubChem CID58069219
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)C(=O)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H23NO3/c1-10(2)15(19)12-5-3-11(4-6-12)9-16-13(17)7-8-14(16)18/h10-12H,3-9H2,1-2H3
InChIKeyNPFLYIKZXXUGOF-UHFFFAOYSA-N
XLogP2.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 166992011
2-[[4-(2-methylpropanoyl)cyclohexyl]methyl]cyclopentane-1,3-dione
CID 166559345
1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 175926594
1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 118667729
2-methyl-1-[4-(3-methylbutyl)cyclohexyl]propan-1-one
CID 158556884
1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 166111938
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-[1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 176791340
1-(cycloundecylmethyl)piperidine-2,6-dione
CID 177141930
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
1-[(4-acetylcyclohexyl)methyl]-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 134491687

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione (CID 58069219) is 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione is CC(C)C(=O)C1CCC(CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is NPFLYIKZXXUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)15(19)12-5-3-11(4-6-12)9-16-13(17)7-8-14(16)18/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 265.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58069219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).